8-(1-anilinoethyl)-6-methyl-2-piperidin-1-ylchromen-4-one

C23H26N2O2 — CID 166778749

IUPAC8-(1-anilinoethyl)-6-methyl-2-piperidin-1-ylchromen-4-one
SMILESCc1cc(C(C)Nc2ccccc2)c2oc(N3CCCCC3)cc(=O)c2c1
InChIInChI=1S/C23H26N2O2/c1-16-13-19(17(2)24-18-9-5-3-6-10-18)23-20(14-16)21(26)15-22(27-23)25-11-7-4-8-12-25/h3,5-6,9-10,13-15,17,24H,4,7-8,11-12H2,1-2H3
InChIKeyHAXZOVDNLJMUJP-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.26
Rot. Bonds4

About 8-(1-anilinoethyl)-6-methyl-2-piperidin-1-ylchromen-4-one

8-(1-anilinoethyl)-6-methyl-2-piperidin-1-ylchromen-4-one (PubChem CID 166778749) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 8-(1-anilinoethyl)-6-methyl-2-piperidin-1-ylchromen-4-one.

Molecular Properties

Compound Name8-(1-anilinoethyl)-6-methyl-2-piperidin-1-ylchromen-4-one
PubChem CID166778749
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name8-(1-anilinoethyl)-6-methyl-2-piperidin-1-ylchromen-4-one
SMILESCc1cc(C(C)Nc2ccccc2)c2oc(N3CCCCC3)cc(=O)c2c1
InChIInChI=1S/C23H26N2O2/c1-16-13-19(17(2)24-18-9-5-3-6-10-18)23-20(14-16)21(26)15-22(27-23)25-11-7-4-8-12-25/h3,5-6,9-10,13-15,17,24H,4,7-8,11-12H2,1-2H3
InChIKeyHAXZOVDNLJMUJP-UHFFFAOYSA-N
XLogP5.26
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1R)-1-[2-(4-chloropiperidin-1-yl)-6-methyl-4-oxochromen-8-yl]ethyl]amino]benzoic acid
CID 156876446
8-[1-[2-(dihydroxymethyl)anilino]ethyl]-6-methyl-2-(4-methylpiperazin-1-yl)chromen-4-one
CID 166778626
2-[1-[6-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-4-oxochromen-8-yl]ethylamino]benzoic acid
CID 156876398
2-[[(1R)-1-[2-(3-cyanoazetidin-1-yl)-6-methyl-4-oxochromen-8-yl]ethyl]amino]benzoic acid
CID 156876758
2-chloro-5-[1-[2-(1,3-dihydroisoindol-2-yl)-6-methyl-4-oxochromen-8-yl]ethylamino]-1,3-thiazole-4-carboxylic acid
CID 156876522
2-[1-[2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromen-8-yl]ethylamino]-3-methoxybenzoic acid
CID 156876489
6-chloro-3-[[(1R)-1-[2-(1,3-dihydroisoindol-2-yl)-6-methyl-4-oxochromen-8-yl]ethyl]amino]pyridine-2-carboxylic acid
CID 156876197
methyl 2-[1-[2-(1,3-dihydroisoindol-2-yl)-6-methyl-4-oxochromen-8-yl]ethylamino]benzoate
CID 166035157
2-[1-[6-methyl-4-oxo-2-(triazol-2-yl)chromen-8-yl]ethylamino]benzoic acid
CID 166111528
2-[1-[6-methyl-4-oxo-2-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)chromen-8-yl]ethylamino]benzoic acid
CID 156876646
2-[1-[2-(1-fluoro-3-azabicyclo[3.1.1]heptan-3-yl)-6-methyl-4-oxochromen-8-yl]ethylamino]benzoic acid
CID 156876498
3-bromo-6-[1-[2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromen-8-yl]ethylamino]-2-fluorobenzoic acid
CID 156876455

Frequently Asked Questions

What is the IUPAC name of 8-(1-anilinoethyl)-6-methyl-2-piperidin-1-ylchromen-4-one?
The IUPAC name of 8-(1-anilinoethyl)-6-methyl-2-piperidin-1-ylchromen-4-one (CID 166778749) is 8-(1-anilinoethyl)-6-methyl-2-piperidin-1-ylchromen-4-one.
What is the SMILES notation for 8-(1-anilinoethyl)-6-methyl-2-piperidin-1-ylchromen-4-one?
The canonical SMILES for 8-(1-anilinoethyl)-6-methyl-2-piperidin-1-ylchromen-4-one is Cc1cc(C(C)Nc2ccccc2)c2oc(N3CCCCC3)cc(=O)c2c1.
What is the InChIKey of 8-(1-anilinoethyl)-6-methyl-2-piperidin-1-ylchromen-4-one?
The InChIKey is HAXZOVDNLJMUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-16-13-19(17(2)24-18-9-5-3-6-10-18)23-20(14-16)21(26)15-22(27-23)25-11-7-4-8-12-25/h3,5-6,9-10,13-15,17,24H,4,7-8,11-12H2,1-2H3.
What are the key properties of 8-(1-anilinoethyl)-6-methyl-2-piperidin-1-ylchromen-4-one?
8-(1-anilinoethyl)-6-methyl-2-piperidin-1-ylchromen-4-one has a molecular weight of 362.47 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-anilinoethyl)-6-methyl-2-piperidin-1-ylchromen-4-one is sourced from PubChem (CID 166778749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).